2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine

C24H19F3N12S2 — CID 158123494

About 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine

2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine (PubChem CID 158123494) has the molecular formula C24H19F3N12S2 and a molecular weight of 596.63 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
• PubChem CID: 158123494
• Molecular Formula: C24H19F3N12S2
• Molecular Weight: 596.63 g/mol
• Exact Mass: 596.12
• IUPAC Name: 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
• SMILES: FC(F)(F)c1[nH]ncc1-c1nc(Nc2ncccn2)cs1.c1cnc(Nc2csc(-c3cn[nH]c3C3CC3)n2)nc1
• InChI: InChI=1S/C13H12N6S.C11H7F3N6S/c1-4-14-13(15-5-1)18-10-7-20-12(17-10)9-6-16-19-11(9)8-2-3-8;12-11(13,14)8-6(4-17-20-8)9-18-7(5-21-9)19-10-15-2-1-3-16-10/h1,4-8H,2-3H2,(H,16,19)(H,14,15,18);1-5H,(H,17,20)(H,15,16,19)
• InChIKey: FRWNYUILHLPZLI-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 158.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	596.63
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?

The IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine (CID 158123494) is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine.

What is the SMILES notation for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?

The canonical SMILES for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine is FC(F)(F)c1[nH]ncc1-c1nc(Nc2ncccn2)cs1.c1cnc(Nc2csc(-c3cn[nH]c3C3CC3)n2)nc1.

What is the InChIKey of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?

The InChIKey is FRWNYUILHLPZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S.C11H7F3N6S/c1-4-14-13(15-5-1)18-10-7-20-12(17-10)9-6-16-19-11(9)8-2-3-8;12-11(13,14)8-6(4-17-20-8)9-18-7(5-21-9)19-10-15-2-1-3-16-10/h1,4-8H,2-3H2,(H,16,19)(H,14,15,18);1-5H,(H,17,20)(H,15,16,19).

What are the key properties of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?

2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine has a molecular weight of 596.63 g/mol, XLogP of 6.03, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 158123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).